(4-benzyl-4-hydroxypiperidin-1-yl)-(5-chloro-2-pyridin-4-ylphenyl)methanone

C24H23ClN2O2 — CID 89491734

IUPAC(4-benzyl-4-hydroxypiperidin-1-yl)-(5-chloro-2-pyridin-4-ylphenyl)methanone
SMILESO=C(c1cc(Cl)ccc1-c1ccncc1)N1CCC(O)(Cc2ccccc2)CC1
InChIInChI=1S/C24H23ClN2O2/c25-20-6-7-21(19-8-12-26-13-9-19)22(16-20)23(28)27-14-10-24(29,11-15-27)17-18-4-2-1-3-5-18/h1-9,12-13,16,29H,10-11,14-15,17H2
InChIKeyCIVVWBYBGLBPAM-UHFFFAOYSA-N
MW406.91 g/mol
LogP4.61
Rot. Bonds4

About (4-benzyl-4-hydroxypiperidin-1-yl)-(5-chloro-2-pyridin-4-ylphenyl)methanone

(4-benzyl-4-hydroxypiperidin-1-yl)-(5-chloro-2-pyridin-4-ylphenyl)methanone (PubChem CID 89491734) has the molecular formula C24H23ClN2O2 and a molecular weight of 406.91 g/mol. Its IUPAC name is (4-benzyl-4-hydroxypiperidin-1-yl)-(5-chloro-2-pyridin-4-ylphenyl)methanone.

Molecular Properties

Compound Name(4-benzyl-4-hydroxypiperidin-1-yl)-(5-chloro-2-pyridin-4-ylphenyl)methanone
PubChem CID89491734
Molecular FormulaC24H23ClN2O2
Molecular Weight406.91 g/mol
Exact Mass406.14
IUPAC Name(4-benzyl-4-hydroxypiperidin-1-yl)-(5-chloro-2-pyridin-4-ylphenyl)methanone
SMILESO=C(c1cc(Cl)ccc1-c1ccncc1)N1CCC(O)(Cc2ccccc2)CC1
InChIInChI=1S/C24H23ClN2O2/c25-20-6-7-21(19-8-12-26-13-9-19)22(16-20)23(28)27-14-10-24(29,11-15-27)17-18-4-2-1-3-5-18/h1-9,12-13,16,29H,10-11,14-15,17H2
InChIKeyCIVVWBYBGLBPAM-UHFFFAOYSA-N
XLogP4.61
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.91
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-benzyl-4-hydroxypiperidin-1-yl)-(5-chloro-2-pyridin-4-ylphenyl)methanone?
The IUPAC name of (4-benzyl-4-hydroxypiperidin-1-yl)-(5-chloro-2-pyridin-4-ylphenyl)methanone (CID 89491734) is (4-benzyl-4-hydroxypiperidin-1-yl)-(5-chloro-2-pyridin-4-ylphenyl)methanone.
What is the SMILES notation for (4-benzyl-4-hydroxypiperidin-1-yl)-(5-chloro-2-pyridin-4-ylphenyl)methanone?
The canonical SMILES for (4-benzyl-4-hydroxypiperidin-1-yl)-(5-chloro-2-pyridin-4-ylphenyl)methanone is O=C(c1cc(Cl)ccc1-c1ccncc1)N1CCC(O)(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzyl-4-hydroxypiperidin-1-yl)-(5-chloro-2-pyridin-4-ylphenyl)methanone?
The InChIKey is CIVVWBYBGLBPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O2/c25-20-6-7-21(19-8-12-26-13-9-19)22(16-20)23(28)27-14-10-24(29,11-15-27)17-18-4-2-1-3-5-18/h1-9,12-13,16,29H,10-11,14-15,17H2.
What are the key properties of (4-benzyl-4-hydroxypiperidin-1-yl)-(5-chloro-2-pyridin-4-ylphenyl)methanone?
(4-benzyl-4-hydroxypiperidin-1-yl)-(5-chloro-2-pyridin-4-ylphenyl)methanone has a molecular weight of 406.91 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-4-hydroxypiperidin-1-yl)-(5-chloro-2-pyridin-4-ylphenyl)methanone is sourced from PubChem (CID 89491734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).